BDBM41203 2-(1,3-Dimethyl-2,6-dioxo-7-propyl-2,3,6,7-tetrahydro-1H-purin-8-ylsulfanyl)-N-(4,5,6,7-tetrahydro-benzothiazol-2-yl)-acetamide::2-(1,3-dimethyl-2,6-dioxo-7-propylpurin-8-yl)sulfanyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide::2-[(1,3-dimethyl-2,6-dioxo-7-propyl-8-purinyl)thio]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide::2-[(2,6-diketo-1,3-dimethyl-7-propyl-purin-8-yl)thio]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide::2-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]sulfanyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamide::MLS000029447::SMR000002300::cid_653676

SMILES: CCCn1c(SCC(=O)Nc2nc3CCCCc3s2)nc2n(C)c(=O)n(C)c(=O)c12

InChI Key: InChIKey=YMNZFBJWBJYYHG-UHFFFAOYSA-N

Data: 8 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 41203   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
RNA polymerase beta subunit (EC 2.7.7.6) (Escherichia coli)	BDBM41203 (2-(1,3-Dimethyl-2,6-dioxo-7-propyl-2,3,6,7-tetrahy...) Show SMILES CCCn1c(SCC(=O)Nc2nc3CCCCc3s2)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C19H24N6O3S2/c1-4-9-25-14-15(23(2)19(28)24(3)16(14)27)22-18(25)29-10-13(26)21-17-20-11-7-5-6-8-12(11)30-17/h4-10H2,1-3H3,(H,20,21,26)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
PCMD Curated by PubChem BioAssay					Assay Description Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q23N21T1
					More data for this Ligand-Target Pair
G-protein coupled receptor 35 (Homo sapiens (Human))	BDBM41203 (2-(1,3-Dimethyl-2,6-dioxo-7-propyl-2,3,6,7-tetrahy...) Show SMILES CCCn1c(SCC(=O)Nc2nc3CCCCc3s2)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C19H24N6O3S2/c1-4-9-25-14-15(23(2)19(28)24(3)16(14)27)22-18(25)29-10-13(26)21-17-20-11-7-5-6-8-12(11)30-17/h4-10H2,1-3H3,(H,20,21,26)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.63E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2TD9VS8
					More data for this Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2 (Homo sapiens (Human))	BDBM41203 (2-(1,3-Dimethyl-2,6-dioxo-7-propyl-2,3,6,7-tetrahy...) Show SMILES CCCn1c(SCC(=O)Nc2nc3CCCCc3s2)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C19H24N6O3S2/c1-4-9-25-14-15(23(2)19(28)24(3)16(14)27)22-18(25)29-10-13(26)21-17-20-11-7-5-6-8-12(11)30-17/h4-10H2,1-3H3,(H,20,21,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2JW8CBM
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM41203 (2-(1,3-Dimethyl-2,6-dioxo-7-propyl-2,3,6,7-tetrahy...) Show SMILES CCCn1c(SCC(=O)Nc2nc3CCCCc3s2)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C19H24N6O3S2/c1-4-9-25-14-15(23(2)19(28)24(3)16(14)27)22-18(25)29-10-13(26)21-17-20-11-7-5-6-8-12(11)30-17/h4-10H2,1-3H3,(H,20,21,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2V1237V
					More data for this Ligand-Target Pair
G-protein coupled receptor 35 (Homo sapiens (Human))	BDBM41203 (2-(1,3-Dimethyl-2,6-dioxo-7-propyl-2,3,6,7-tetrahy...) Show SMILES CCCn1c(SCC(=O)Nc2nc3CCCCc3s2)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C19H24N6O3S2/c1-4-9-25-14-15(23(2)19(28)24(3)16(14)27)22-18(25)29-10-13(26)21-17-20-11-7-5-6-8-12(11)30-17/h4-10H2,1-3H3,(H,20,21,26)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.78E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2C24TWT
					More data for this Ligand-Target Pair
nucleotide-binding oligomerization domain containing 1 (Homo sapiens (Human))	BDBM41203 (2-(1,3-Dimethyl-2,6-dioxo-7-propyl-2,3,6,7-tetrahy...) Show SMILES CCCn1c(SCC(=O)Nc2nc3CCCCc3s2)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C19H24N6O3S2/c1-4-9-25-14-15(23(2)19(28)24(3)16(14)27)22-18(25)29-10-13(26)21-17-20-11-7-5-6-8-12(11)30-17/h4-10H2,1-3H3,(H,20,21,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.36E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q23J3BDQ
					More data for this Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2 (Homo sapiens (Human))	BDBM41203 (2-(1,3-Dimethyl-2,6-dioxo-7-propyl-2,3,6,7-tetrahy...) Show SMILES CCCn1c(SCC(=O)Nc2nc3CCCCc3s2)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C19H24N6O3S2/c1-4-9-25-14-15(23(2)19(28)24(3)16(14)27)22-18(25)29-10-13(26)21-17-20-11-7-5-6-8-12(11)30-17/h4-10H2,1-3H3,(H,20,21,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2ZS2TX1
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM41203 (2-(1,3-Dimethyl-2,6-dioxo-7-propyl-2,3,6,7-tetrahy...) Show SMILES CCCn1c(SCC(=O)Nc2nc3CCCCc3s2)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C19H24N6O3S2/c1-4-9-25-14-15(23(2)19(28)24(3)16(14)27)22-18(25)29-10-13(26)21-17-20-11-7-5-6-8-12(11)30-17/h4-10H2,1-3H3,(H,20,21,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q29C6VV1
					More data for this Ligand-Target Pair